Studies of EPR parameters for Mn5+-doped Li3PO4 and Li3VO4 crystals

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	Studies of EPR parameters for Mn5+-doped Li3PO4 and Li3VO4 crystals
	W. C. Zheng; X. X. Wu; Y. J. Fan
	2007
发表期刊	Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy
ISSN	1386-1425
卷号	66 期号:1 页码:102-105
摘要	The EPR parameters (zero-field splitting D and g factors g(vertical bar vertical bar), g(perpendicular to)) of Mn5+-doped Li3PO4 and Li3VO4 crystals are calculated from the complete high-order perturbation formulas based on a molecular orbital scheme for a 3d(2) ion in tetragonal MX4 clusters. These formulas include not only the contribution coming from crystal-field excitations, but also that arising from charge-transfer excitations (which is discarded in crystal field theory). The calculated results are in reasonable agreement with the observed values. The contributions to EPR parameters coming from the charge-transfer excitations are comparable with those arising from the crystal-field excitations. It appears that for a high valence state 3d(n) ion in crystals, the reasonable explanations of EPR parameters should take the contributions due to both crystal-field and charge-transfer excitations into account. (c) 2006 Elsevier B.V. All rights reserved.
部门归属	sichuan univ, dept mat sci, chengdu 610064, peoples r china. civil aviat plying inst china, dept phys, guanghan 618307, peoples r china. chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;zheng, wc (reprint author), sichuan univ, dept mat sci, chengdu 610064, peoples r china;zhengwcl@163.com
关键词	Electron Paramagnetic Resonance (Epr) Crystal And ligAnd-field Theory Charge Transfer Mechanism Mn5++ Li3po4 Li3vo4 Atomic Screening Constants Oxo Coordination Phase-transition Scf Functions Laser Action Complexes Pressure Forsterite Covalency Ions
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WOS记录号	WOS:000243159300017
引用统计	被引频次：9[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/34093
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	W. C. Zheng,X. X. Wu,Y. J. Fan. Studies of EPR parameters for Mn5+-doped Li3PO4 and Li3VO4 crystals[J]. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,2007,66(1):102-105.
APA	W. C. Zheng,X. X. Wu,&Y. J. Fan.(2007).Studies of EPR parameters for Mn5+-doped Li3PO4 and Li3VO4 crystals.Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy,66(1),102-105.
MLA	W. C. Zheng,et al."Studies of EPR parameters for Mn5+-doped Li3PO4 and Li3VO4 crystals".Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 66.1(2007):102-105.